4,6-dimethyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(phenylmethyl)sulfinylmethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(benzylsulfinylmethylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(phenylmethyl)sulfinylmethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(benzylsulfinylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(benzylsulfinylmethylthio)-4,6-dimethyl-nicotinonitrile Formula: C16H16N2OS2 MolecularWeight: 316.44104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCS(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCS(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H16N2OS2/c1-12-8-13(2)18-16(15(12)9-17)20-11-21(19)10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3